SCHEMBL5551004

SCHEMBL5551004

CC(C)OC(Cc1ccnc(OCCOc2ccc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.47
HPGD P15428 3/20 0.43
NLRP1 Q9C000 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR4 O95977 2/20 0.42
PPARG P37231 5/20 0.42
PPARD Q03181 3/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5551016 0.89 SMN1; SMN2 (0.42) PPARAHPGDNLRP1ALDH1A1LMNA
SCHEMBL5554510 0.88 PPARA (0.47) PPARAHPGDNLRP1ALDH1A1LMNA
SCHEMBL4341964 0.83 MMP1 (0.50) PPARAHPGDNLRP1LMNAS1PR4
SCHEMBL4336847 0.82 PPARA (0.54) PPARAHPGDNLRP1PPARGPPARD
SCHEMBL5551032 0.81 PPARG (0.49) PPARAPPARGPPARD
SCHEMBL4339301 0.80 PPARA (0.54) PPARAHPGDNLRP1ALDH1A1LMNA
SCHEMBL5556283 0.80 PPARG (0.51) PPARAPPARGPPARD
SCHEMBL4341219 0.80 PPARA (0.53) PPARAHPGDNLRP1PPARGPPARD
SCHEMBL13819776 0.79 MRGPRX4 (0.59) PPARAHPGDALDH1A1HTTL3MBTL1
SCHEMBL13819716 0.79 MRGPRX4 (0.59) PPARAHPGDALDH1A1HTTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-20040116708-A1 Insulin sensitizers; antidiabetic agents, antiinflammatory agents; inflammatory bowel disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-06-17 US disclosed
EP-1375484-A1 CARBOXYLIC ACIDS Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed